Geometry & MOs

Info

ID:	267611
PubChem CID:	103582982
Reduced:	BrClN2O2C10H14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	299.97774
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	2.09
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)-3,5-dimethylpyrazol-4-amine

Drug info:

PubChemData

Smile

COCCN(CCO)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations